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CAS 505-44-2 IBERIN molecular structure lightbox
CAS RN: 505-44-2

IBERIN

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250619 10mg In stock Shanghai Inquiry
Batchno.20251104 2mg In stock Shanghai, Shandong Inquiry
Batchno.20250930 50mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-157045
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 505-44-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

505-44-2 / 1-isothiocyanato-3-methylsulfinylpropane

Standard CAS: 505-44-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
505-44-2
Multi CAS
No
Molecular Formula
C5H9NOS2
Molecular Weight
163.300000
Exact Mass
163.012556
InChI
InChI=1S/C5H9NOS2/c1-9(7)4-2-3-6-5-8/h2-4H2,1H3
InChIKey
LELAOEBVZLPXAZ-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
43.44
TPSA
29.43

LogP / Solubility

WLOGP
0.86
MLOGP
0.75
XLogP3
1
Consensus LogP
0.87
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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